DFT study on the mechanism and origin of stereoselectivity of an NHC-catalyzed activation/transformation of an ɑ-bromo enal

In the present study, we theoretically investigated the mechanism and origin of stereoselectivity in an NHC-catalyzed enantioselective activation/transformation of an α-bromo enal, utilizing α,β-unsaturated acyl azolium as a key intermediate...